Basic information
- Standard SMILES
O=C(Nc1cc(Br)cnc1Cl)c1ccccc1[N+](=O)[O-]- InChIKey
ABYFLBFWSMAJAD-UHFFFAOYSA-N- Molecular formula
- C12H7BrClN3O3
- Average molar mass
- 356.56 g/mol
Names & identifiers
- Preferred name
- N-(5-bromo-2-chloropyridin-3-yl)-2-nitrobenzamide
- IUPAC
- N-(5-bromo-2-chloro-3-pyridinyl)-2-nitrobenzamide
Names & synonyms
N-(5-bromo-2-chloropyridin-3-yl)-2-nitrobenzamide1338243-91-6SCHEMBL2506958ABYFLBFWSMAJAD-UHFFFAOYSA-NDB-109637DB-255478
Database identifiers
- PubChem CID
- 86658034
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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